January 17, 2021

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Advances in Mathematical Chemistry and Applications:

Advances in Mathematical Chemistry and Applications:
Author : Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
Publisher : Elsevier
Release Date : 2016-02-11
Category : Science
Total pages :354
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Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Advances in Mathematical Chemistry and Applications:

Advances in Mathematical Chemistry and Applications:
Author : Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
Publisher : Elsevier
Release Date : 2016-02-11
Category : Science
Total pages :376
GET BOOK

Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in drug design, and much more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics Revised 2015 edition includes a new chapter on the current landscape of hierarchical QSAR modelling About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Recent Advances in Mathematical and Statistical Methods

Recent Advances in Mathematical and Statistical Methods
Author : D. Marc Kilgour,Herb Kunze,Roman Makarov,Roderick Melnik,Xu Wang
Publisher : Springer
Release Date : 2018-11-04
Category : Computers
Total pages :646
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This book focuses on the recent development of methodologies and computation methods in mathematical and statistical modelling, computational science and applied mathematics. It emphasizes the development of theories and applications, and promotes interdisciplinary endeavour among mathematicians, statisticians, scientists, engineers and researchers from other disciplines. The book provides ideas, methods and tools in mathematical and statistical modelling that have been developed for a wide range of research fields, including medical, health sciences, biology, environmental science, engineering, physics and chemistry, finance, economics and social sciences. It presents original results addressing real-world problems. The contributions are products of a highly successful meeting held in August 2017 on the main campus of Wilfrid Laurier University, in Waterloo, Canada, the International Conference on Applied Mathematics, Modeling and Computational Science (AMMCS-2017). They make this book a valuable resource for readers interested not only in a broader overview of the methods, ideas and tools in mathematical and statistical approaches, but also in how they can attain valuable insights into problems arising in other disciplines.

Mathematical Physics in Theoretical Chemistry

Mathematical Physics in Theoretical Chemistry
Author : S. M. Blinder,J. E. House
Publisher : Elsevier
Release Date : 2018-11-26
Category : Science
Total pages :423
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Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. Brings together the most important aspects and recent advances in theoretical and computational chemistry Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry

Advances in the Mathematical Sciences

Advances in the Mathematical Sciences
Author : Gail Letzter,Kristin Lauter,Erin Chambers,Nancy Flournoy,Julia Elisenda Grigsby,Carla Martin,Kathleen Ryan,Konstantina Trivisa
Publisher : Springer
Release Date : 2016-08-19
Category : Mathematics
Total pages :436
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Presenting the latest findings in topics from across the mathematical spectrum, this volume includes results in pure mathematics along with a range of new advances and novel applications to other fields such as probability, statistics, biology, and computer science. All contributions feature authors who attended the Association for Women in Mathematics Research Symposium in 2015: this conference, the third in a series of biennial conferences organized by the Association, attracted over 330 participants and showcased the research of women mathematicians from academia, industry, and government.

Cycloparaffins: Advances in Research and Application: 2011 Edition

Cycloparaffins: Advances in Research and Application: 2011 Edition
Author : Anonim
Publisher : ScholarlyEditions
Release Date : 2012-01-09
Category : Science
Total pages :53
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Cycloparaffins: Advances in Research and Application: 2011 Edition is a ScholarlyBrief™ that delivers timely, authoritative, comprehensive, and specialized information about Cycloparaffins in a concise format. The editors have built Cycloparaffins: Advances in Research and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Cycloparaffins in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Cycloparaffins: Advances in Research and Application: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Chemical Graph Theory

Chemical Graph Theory
Author : Nenad Trinajstic
Publisher : Routledge
Release Date : 2018-05-11
Category : Science
Total pages :352
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Chemical Graph Theory, 2nd Edition is a completely revised and updated edition of a highly regarded book that has been widely used since its publication in 1983. This unique book offers a basic introduction to the handling of molecular graphs - mathematical diagrams representing molecular structures. Using mathematics well within the vocabulary of most chemists, this volume elucidates the structural aspects of chemical graph theory: (1) the relationship between chemical and graph-theoretical terminology, elements of graph theory, and graph-theoretical matrices; (2) the topological aspects of the Hückel theory, resonance theory, and theories of aromaticity; and (3) the applications of chemical graph theory to structure-property and structure-activity relationships and to isomer enumeration. An extensive bibliography covering the most relevant advances in theory and applications is one of the book's most valuable features. This volume is intended to introduce the entire chemistry community to the applications of graph theory and will be of particular interest to theoretical organic and inorganic chemists, physical scientists, computational chemists, and those already involved in mathematical chemistry.

Advances in Mathematical Inequalities and Applications

Advances in Mathematical Inequalities and Applications
Author : Praveen Agarwal,Silvestru Sever Dragomir,Mohamed Jleli,Bessem Samet
Publisher : Springer
Release Date : 2018-12-31
Category : Mathematics
Total pages :349
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This book is a collection of original research and survey articles on mathematical inequalities and their numerous applications in diverse areas of mathematics and engineering. It includes chapters on convexity and related concepts; inequalities for mean values, sums, functions, operators, functionals, integrals and their applications in various branches of mathematics and related sciences; fractional integral inequalities; and weighted type integral inequalities. It also presents their wide applications in biomathematics, boundary value problems, mechanics, queuing models, scattering, and geomechanics in a concise, but easily understandable way that makes the further ramifications and future directions clear. The broad scope and high quality of the contributions make this book highly attractive for graduates, postgraduates and researchers. All the contributing authors are leading international academics, scientists, researchers and scholars.

Advances in Mathematics and Applications

Advances in Mathematics and Applications
Author : Carlile Lavor,Francisco A. M. Gomes
Publisher : Springer
Release Date : 2018-09-07
Category : Mathematics
Total pages :407
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This book celebrates the 50th anniversary of the Institute of Mathematics, Statistics and Scientific Computing (IMECC) of the University of Campinas, Brazil, by offering reviews of selected research developed at one of the most prestigious mathematics institutes in Latin America. Written by senior professors at the IMECC, it covers topics in pure and applied mathematics and statistics ranging from differential geometry, dynamical systems, Lie groups, and partial differential equations to computational optimization, mathematical physics, stochastic process, time series, and more. A report on the challenges and opportunities of research in applied mathematics - a highly active field of research in the country - and highlights of the Institute since its foundation in 1968 completes this historical volume, which is unveiled in the same year that the International Mathematical Union (IMU) names Brazil as a member of the Group V of countries with the most relevant contributions in mathematics.

Advances in Metallodrugs

Advances in Metallodrugs
Author : Shahid Ul-Islam,Athar Adil Hashmi,Salman Ahmad Khan
Publisher : John Wiley & Sons
Release Date : 2020-07-08
Category : Science
Total pages :432
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This book is organized into 12 important chapters that focus on the progress made by metal-based drugs as anticancer, antibacterial, antiviral, anti-inflammatory, and anti-neurodegenerative agents, as well as highlights the application areas of newly discovered metallodrugs. It can prove beneficial for researchers, investigators and scientists whose work involves inorganic and coordination chemistry, medical science, pharmacy, biotechnology and biomedical engineering.

Advances in Molecular Structure Research

Advances in Molecular Structure Research
Author : Anonim
Publisher : Elsevier
Release Date : 1996-03-20
Category : Science
Total pages :254
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Advances in Molecular Structure Research

Advances in Quantum Chemistry

Advances in Quantum Chemistry
Author : John R. Sabin,Erkki J. Brandas
Publisher : Elsevier
Release Date : 2006-12-27
Category : Science
Total pages :332
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Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. Advances in Quantum Chemistry, Volume 51 deals with various aspects of mathematical versus chemical applications. Some parts belong to established scientific domains, where technical progress has been crucial for the development of modern quantum chemistry as well as the quantification problem in spectral resonance analysis. The first chapter in the volume, concerns the calculation of molecular electronic structure to high accuracy, using a variety of one and two-body schemes in the coupled cluster family of methods. Chapter 2 is devoted to Angular Momentum Diagrams. In chapters 3 and 4, the autors portray Chemical Graph Theory (CGT). Advances quantum mechanical signal processing through the fast Padé transform (FPT) are covered in Chapter 5. The concluding chapter gives a mathematical view of molecular equilibria using a Density-Functional Theory (DFT) description. Publishes articles, invited reviews and proceedings of major international conferences and workshops Compiled by the leading international researchers in quantum and theoretical chemistry Highlights the important, interdisciplinary developments

The Cahn–Hilliard Equation: Recent Advances and Applications

The Cahn–Hilliard Equation: Recent Advances and Applications
Author : Alain Miranville
Publisher : SIAM
Release Date : 2019-09-09
Category : Mathematics
Total pages :216
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This is the first book to present a detailed discussion of both classical and recent results on the popular Cahn–Hilliard equation and some of its variants. The focus is on mathematical analysis of Cahn–Hilliard models, with an emphasis on thermodynamically relevant logarithmic nonlinear terms, for which several questions are still open. Initially proposed in view of applications to materials science, the Cahn–Hilliard equation is now applied in many other areas, including image processing, biology, ecology, astronomy, and chemistry. In particular, the author addresses applications to image inpainting and tumor growth. Many chapters include open problems and directions for future research. The Cahn-Hilliard Equation: Recent Advances and Applications is intended for graduate students and researchers in applied mathematics, especially those interested in phase separation models and their generalizations and applications to other fields. Materials scientists also will find this text of interest.

Advances in Cytochrome P-450 Enzyme System Research and Application: 2011 Edition

Advances in Cytochrome P-450 Enzyme System Research and Application: 2011 Edition
Author : Anonim
Publisher : ScholarlyEditions
Release Date : 2012-01-09
Category : Science
Total pages :45
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Advances in Cytochrome P-450 Enzyme System Research and Application: 2011 Edition is a ScholarlyBrief™ that delivers timely, authoritative, comprehensive, and specialized information about Cytochrome P-450 Enzyme System in a concise format. The editors have built Advances in Cytochrome P-450 Enzyme System Research and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Cytochrome P-450 Enzyme System in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Advances in Cytochrome P-450 Enzyme System Research and Application: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

IUTAM Symposium on Advances in Mathematical Modelling of Atmosphere and Ocean Dynamics

IUTAM Symposium on Advances in Mathematical Modelling of Atmosphere and Ocean Dynamics
Author : P.F. Hodnett
Publisher : Springer Science & Business Media
Release Date : 2001-08-31
Category : Science
Total pages :302
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The goals ofthe Symposium were to highlight advances in modelling ofatmosphere and ocean dynamics, to provide a forum where atmosphere and ocean scientists could present their latest research results and learn ofprogress and promising ideas in these allied disciplines; to facilitate interaction between theory and applications in atmosphere/ocean dynamics. These goals were seen to be especially important in view ofcurrent efforts to model climate requiring models which include interaction between atmosphere, ocean and land influences. Participants were delighted with the diversity ofthe scientific programme; the opportunity to meet fellow scientists from the other discipline (either atmosphere or ocean) with whom they do not normally interact through their own discipline; the opportunity to meet scientists from many countries other than their own; the opportunity to hear significant presentations (50 minutes) from the keynote speakers on a range ofrelevant topics. Certainly the goal ofcreating a forum for exchange between atmosphere and ocean scientists who need to input to create realistic models for climate prediction was achieved by the Symposium and this goal will hopefully be further advanced by the publication ofthese Proceedings.